Simultaneous orthogonal methods for the real-time analysis of catalytic reactions

Robin Theron; Yang Wu; Lars P. E. Yunker; Amelia V. Hesketh; Indrek Pernik; Andrew S. Weller; J. Scott McIndoe

doi:10.1021/acscatal.6b01489

Simultaneous orthogonal methods for the real-time analysis of catalytic reactions

Robin Theron, Yang Wu, Lars P. E. Yunker, Amelia V. Hesketh, Indrek Pernik, Andrew S. Weller, J. Scott McIndoe^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

35 Citations (Scopus)

Abstract

Continuous monitoring of catalyzed reactions using infrared spectroscopy (IR) measures the transformation of reactant into product, whereas mass spectrometry delineates the dynamics of the catalytically relevant species present at much lower concentrations, a holistic approach that provides mechanistic insight into the reaction components whose abundance spans 5 orders of magnitude. Probing reactions to this depth reveals entities that include precatalysts, resting states, intermediates, and also catalyst impurities and decomposition products. Simple temporal profiles that arise from this analysis aid discrimination between the different types of species, and a hydroacylation reaction catalyzed by a cationic rhodium complex is studied in detail to provide a test case for the utility of this methodology.

Original language	English
Pages (from-to)	6911-6917
Number of pages	7
Journal	ACS Catalysis
Volume	6
Issue number	10
DOIs	https://doi.org/10.1021/acscatal.6b01489
Publication status	Published - Oct 2016
Externally published	Yes

Keywords

mass spectrometry
infrared spectroscopy
real-time monitoring
catalysis
hydroacylation

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10.1021/acscatal.6b01489

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title = "Simultaneous orthogonal methods for the real-time analysis of catalytic reactions",

abstract = "Continuous monitoring of catalyzed reactions using infrared spectroscopy (IR) measures the transformation of reactant into product, whereas mass spectrometry delineates the dynamics of the catalytically relevant species present at much lower concentrations, a holistic approach that provides mechanistic insight into the reaction components whose abundance spans 5 orders of magnitude. Probing reactions to this depth reveals entities that include precatalysts, resting states, intermediates, and also catalyst impurities and decomposition products. Simple temporal profiles that arise from this analysis aid discrimination between the different types of species, and a hydroacylation reaction catalyzed by a cationic rhodium complex is studied in detail to provide a test case for the utility of this methodology.",

keywords = "mass spectrometry, infrared spectroscopy, real-time monitoring, catalysis, hydroacylation",

author = "Robin Theron and Yang Wu and Yunker, {Lars P. E.} and Hesketh, {Amelia V.} and Indrek Pernik and Weller, {Andrew S.} and McIndoe, {J. Scott}",

year = "2016",

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volume = "6",

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journal = "ACS Catalysis",

issn = "2155-5435",

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T1 - Simultaneous orthogonal methods for the real-time analysis of catalytic reactions

AU - Theron, Robin

AU - Wu, Yang

AU - Yunker, Lars P. E.

AU - Hesketh, Amelia V.

AU - Pernik, Indrek

AU - Weller, Andrew S.

AU - McIndoe, J. Scott

PY - 2016/10

Y1 - 2016/10

N2 - Continuous monitoring of catalyzed reactions using infrared spectroscopy (IR) measures the transformation of reactant into product, whereas mass spectrometry delineates the dynamics of the catalytically relevant species present at much lower concentrations, a holistic approach that provides mechanistic insight into the reaction components whose abundance spans 5 orders of magnitude. Probing reactions to this depth reveals entities that include precatalysts, resting states, intermediates, and also catalyst impurities and decomposition products. Simple temporal profiles that arise from this analysis aid discrimination between the different types of species, and a hydroacylation reaction catalyzed by a cationic rhodium complex is studied in detail to provide a test case for the utility of this methodology.

AB - Continuous monitoring of catalyzed reactions using infrared spectroscopy (IR) measures the transformation of reactant into product, whereas mass spectrometry delineates the dynamics of the catalytically relevant species present at much lower concentrations, a holistic approach that provides mechanistic insight into the reaction components whose abundance spans 5 orders of magnitude. Probing reactions to this depth reveals entities that include precatalysts, resting states, intermediates, and also catalyst impurities and decomposition products. Simple temporal profiles that arise from this analysis aid discrimination between the different types of species, and a hydroacylation reaction catalyzed by a cationic rhodium complex is studied in detail to provide a test case for the utility of this methodology.

KW - mass spectrometry

KW - infrared spectroscopy

KW - real-time monitoring

KW - catalysis

KW - hydroacylation

U2 - 10.1021/acscatal.6b01489

DO - 10.1021/acscatal.6b01489

M3 - Article

AN - SCOPUS:84990833569

VL - 6

SP - 6911

EP - 6917

JO - ACS Catalysis

JF - ACS Catalysis

SN - 2155-5435

IS - 10

ER -

Simultaneous orthogonal methods for the real-time analysis of catalytic reactions

Abstract

Keywords

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